N-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide

C23H19N5O3 — CID 162645222

IUPACN-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3ccnc(OC)c3)ccc12
InChIInChI=1S/C23H19N5O3/c1-3-20(29)25-18-7-5-4-6-17(18)23(30)26-22-16-9-8-14(12-19(16)27-28-22)15-10-11-24-21(13-15)31-2/h3-13H,1H2,2H3,(H,25,29)(H2,26,27,28,30)
InChIKeyLEJBTXVALZBVTH-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.01
Rot. Bonds6

About N-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide

N-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide (PubChem CID 162645222) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
PubChem CID162645222
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC NameN-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3ccnc(OC)c3)ccc12
InChIInChI=1S/C23H19N5O3/c1-3-20(29)25-18-7-5-4-6-17(18)23(30)26-22-16-9-8-14(12-19(16)27-28-22)15-10-11-24-21(13-15)31-2/h3-13H,1H2,2H3,(H,25,29)(H2,26,27,28,30)
InChIKeyLEJBTXVALZBVTH-UHFFFAOYSA-N
XLogP4.01
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide (CID 162645222) is N-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3ccnc(OC)c3)ccc12.
What is the InChIKey of N-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
The InChIKey is LEJBTXVALZBVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-3-20(29)25-18-7-5-4-6-17(18)23(30)26-22-16-9-8-14(12-19(16)27-28-22)15-10-11-24-21(13-15)31-2/h3-13H,1H2,2H3,(H,25,29)(H2,26,27,28,30).
What are the key properties of N-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
N-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide has a molecular weight of 413.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 162645222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).